N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C25H22FN3O3 — CID 134031095

IUPACN-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)N(C)CCOc4ccc(F)cc4)cc3)o2)cc1
InChIInChI=1S/C25H22FN3O3/c1-17-3-5-18(6-4-17)23-27-28-24(32-23)19-7-9-20(10-8-19)25(30)29(2)15-16-31-22-13-11-21(26)12-14-22/h3-14H,15-16H2,1-2H3
InChIKeyRFFRPDUSJBECRK-UHFFFAOYSA-N
MW431.47 g/mol
LogP5.00
Rot. Bonds7

About N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 134031095) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID134031095
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)N(C)CCOc4ccc(F)cc4)cc3)o2)cc1
InChIInChI=1S/C25H22FN3O3/c1-17-3-5-18(6-4-17)23-27-28-24(32-23)19-7-9-20(10-8-19)25(30)29(2)15-16-31-22-13-11-21(26)12-14-22/h3-14H,15-16H2,1-2H3
InChIKeyRFFRPDUSJBECRK-UHFFFAOYSA-N
XLogP5.00
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 134031095) is N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccc(-c2nnc(-c3ccc(C(=O)N(C)CCOc4ccc(F)cc4)cc3)o2)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is RFFRPDUSJBECRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-17-3-5-18(6-4-17)23-27-28-24(32-23)19-7-9-20(10-8-19)25(30)29(2)15-16-31-22-13-11-21(26)12-14-22/h3-14H,15-16H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 431.47 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 134031095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).